3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C14H18N2O5S — CID 9067995

IUPAC3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1OCC
InChIInChI=1S/C14H18N2O5S/c1-4-19-12-7-6-11(9-13(12)20-5-2)22(17,18)16-14-8-10(3)21-15-14/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyWFOBDKQOUZMQJP-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.58
Rot. Bonds7

About 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 9067995) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID9067995
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1OCC
InChIInChI=1S/C14H18N2O5S/c1-4-19-12-7-6-11(9-13(12)20-5-2)22(17,18)16-14-8-10(3)21-15-14/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyWFOBDKQOUZMQJP-UHFFFAOYSA-N
XLogP2.58
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2473949
2-[2-chloro-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenoxy]acetamide
CID 100815540
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 75476941
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 9067995) is 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is WFOBDKQOUZMQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-4-19-12-7-6-11(9-13(12)20-5-2)22(17,18)16-14-8-10(3)21-15-14/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 9067995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).